AB00743314-01
TL;DR: AB00743314-01 (CAS 849516-89-8) is a chemical compound with molecular formula C16H16BrN5O3 and molecular weight 405.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
Also Known As: AB00743314-01, AB00743314-02, N-(4-bromophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide, N-(4-bromophenyl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide
| Molecular Formula | C16H16BrN5O3 |
|---|---|
| Molecular Weight | 405.04 g/mol |
| LogP | 1.3959 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.04364 |
| Heavy Atoms | 25 |
| Complexity | 1078.0737 |
Chemical Identifiers
| CAS Number | 849516-89-8 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)Br)N2C=NC3=C2C(=O)N(C(=O)N3C)C |
Product Overview
AB00743314-01 (CAS 849516-89-8), with molecular formula C16H16BrN5O3 and molecular weight 405.04 g/mol. IUPAC: N-(4-bromophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide.
Chemical Property Profile of AB00743314-01
Property Insights of AB00743314-01
The XLogP value of 1.3959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00743314-01. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00743314-01. Following Lipinski's Rule of Five, AB00743314-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00743314-01?
The CAS number of AB00743314-01 is 849516-89-8.
What is the molecular formula of AB00743314-01?
The molecular formula of AB00743314-01 is C16H16BrN5O3.
What is the molecular weight of AB00743314-01?
The molecular weight of AB00743314-01 is 405.04 g/mol.
Where can I buy AB00743314-01?
You can request a quote for AB00743314-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00743314-01?
Yes, KEHONG BIO provides custom synthesis services for AB00743314-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.